| CAS Number | 206347-33-3 |
| Catalog Number | AG00BF2E(AGN-PC-06GEWM) |
| Chemical Name | Benzene, 1,3-dibromo-2-(3-bromopropoxy)- |
| IUPAC Name | 1,3-dibromo-2-(3-bromopropoxy)benzene |
| InChI | InChI=1S/C9H9Br3O/c10-5-2-6-13-9-7(11)3-1-4-8(9)12/h1,3-4H,2,5-6H2 |
| InChI Key | LMRBFBUUUIQJQA-UHFFFAOYSA-N |
| MDL Number | MFCD11164558 |
| Molecular Formula | C9H9Br3O |
| Molecular Weight | 372.8792 |
| SMILES | c1ccc(c(c1Br)OCCCBr)Br |
| Synonyms | 1,3-Dibromo-2-(3-bromopropoxy)benzene,
206347-33-3,
Benzene, 1,3-dibromo-2-(3-bromopropoxy)-,
SCHEMBL20482100,
CS-M2556,
ZINC36723925,
CS-14680,
Benzene,1,3-dibroMo-2-(3-broMopropoxy)-,
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| Complexity | 133 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 371.818g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 372.882g/mol |
| Monoisotopic Mass | 369.82g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number